Buy xlr-11 n-4-hydroxypentyl metabolite

XLR-11 4-Hydroxypentyl metabolite solution

XLR-11 4-Hydroxypentyl metabolite solution structure

CAS No.

Chemical Name:: XLR-11 4-Hydroxypentyl metabolite solution

Synonyms: XLR-11 4-Hydroxypentyl metabolite solution

CBNumber:: CB815249454

Molecular Formula:

Molecular Weight:: 0

MDL Number:

MOL File:

XLR-11 4-Hydroxypentyl metabolite solution Properties

storage temp.	-20°C
form	liquid
Major Application	forensics and toxicology forensics and toxicology
UNSPSC Code	41116107
NACRES	NA.24

SAFETY

Risk and Safety Statements

Symbol(GHS)	GHS02,GHS06,GHS08
Signal word	Danger
Hazard statements	H225-H301+H311+H331-H370
Precautionary statements	P210-P233-P280-P301+P310-P303+P361+P353-P304+P340+P311
target organs	Eyes,Central nervous system
WGK Germany	WGK 2
Storage Class	3 – Flammable liquids
Hazard Classifications	Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1

XLR-11 4-Hydroxypentyl metabolite solution Chemical Properties, Uses, Production

Uses

forensics and toxicology
forensics and toxicology

XLR-11 4-Hydroxypentyl metabolite solution Preparation Products And Raw materials

Raw materials

Preparation Products

XLR-11 4-Hydroxypentyl metabolite solution Suppliers

Comprehensive Guide: Correlation and
Analytical Performance of XLR11 and its 4
Hydroxy Metabolite
Author: BenchChem Technical Support Team. Date: May 2026
Compound of Interest
Compound Name:
CAS No.:
Cat. No.:
XLR11 N-(4-hydroxypentyl)
metabolite
1782099-36-8
B593338
Get Quote
Executive Summary & Core Directive
The Diagnostic Gap: XLR11 ([1-(5-fluoropentyl)indol-3-yl]-(2,2,3,3
tetramethylcyclopropyl)methanone) presents a specific challenge in forensic toxicology due to
its rapid metabolic instability. The parent compound is rarely detectable in urine, the primary
matrix for drug screening.[1]
The Solution: The 4-hydroxy metabolite (XLR11-N-4-hydroxypentyl) serves as the definitive
biomarker. This guide analyzes the correlation between the parent drug and this metabolite,
providing a validated LC-MS/MS workflow to distinguish XLR11 intake from its non-fluorinated
analog, UR-144.[2]
Metabolic Mechanics: The Causality of Correlation
To understand the correlation, one must understand the metabolic instability of the parent
compound. XLR11 undergoes rapid Phase I oxidation, primarily mediated by CYP450
© 2026 BenchChem. All rights reserved.
1 / 7
Tech Support
Validation & Comparative
Check Availability & Pricing
enzymes.
The Hydroxylation Pathway
The 5-fluoropentyl chain is the primary site of attack. While defluorination leads to UR-144
metabolites (complicating analysis), hydroxylation at the 4-position retains the fluorine atom,
making the 4-hydroxy metabolite a specific marker for XLR11, unlike the 5-hydroxy metabolite
which can originate from UR-144.
Pathway Visualization
The following diagram illustrates the metabolic divergence that dictates analytical strategy.
Pyrolysis
Parent XLR11
(Rapidly Degrades)
Thermal Degradation
(Smoking)
Hydroxylation
(Retains Fluorine)
CYP450
Oxidation
Defluorination
+ Hydroxylation
Oxidative
Defluorination
Ring-Opened
Product
4-OH-XLR11
(Specific Biomarker)
5-OH-UR-144
(Non-Specific)
UR-144 Pentanoic Acid
(Non-Specific)
Click to download full resolution via product page
Phase II
UGT
Glucuronide
Conjugates
Caption: Metabolic pathway highlighting the specificity of 4-OH-XLR11 (Green) versus non
specific defluorinated metabolites.
Comparative Performance: Parent vs. Metabolite
The “correlation” in urine is not linear but inverse and categorical. High concentrations of
metabolite correlate with low-to-undetectable concentrations of the parent.
© 2026 BenchChem. All rights reserved.
2 / 7
Tech Support
Validation & Comparative
Check Availability & Pricing
Detection Windows and Frequency
Data synthesized from forensic casework demonstrates the necessity of metabolite targeting.
Metric
Parent XLR11
4-Hydroxy
Metabolite
Detection Frequency
(Urine)
< 10% of positive
cases
> 95% of positive
cases
Performance Note
Concentration Range
2.1 – 4.5 ng/mL
4.5 – 57.2 ng/mL
Parent is a poor
urinary marker.
Metabolite abundance
is ~10x higher.
Thermal Stability
Low (Degrades at
ambient temp)
High
Parent requires frozen
storage (-20°C).
Specificity
High
High (Retains
Fluorine)
5-OH metabolites
cross-react with UR
144.[2][3]
The Diagnostic Correlation Ratio
A critical finding for researchers is the 4-OH / 5-OH Ratio.
XLR11 Intake: High presence of 4-OH-XLR11.
UR-144 Intake: Absence of 4-OH-XLR11; presence of 5-OH-UR-144.[3]
Correlation Rule: The concentration of 4-OH-XLR11 is the primary independent variable for
confirming XLR11 ingestion, as the parent compound’s half-life is too short for reliable
detection in non-blood matrices.
Validated Experimental Protocol (LC-MS/MS)
Trustworthiness: This protocol includes a mandatory hydrolysis step. Since >80% of the 4
hydroxy metabolite exists as a glucuronide conjugate, omitting hydrolysis yields false
negatives.
Workflow Logic
© 2026 BenchChem. All rights reserved.
3 / 7
Tech Support
Validation & Comparative
Check Availability & Pricing
Hydrolysis: Frees the metabolite from glucuronic acid.
SPE (Solid Phase Extraction): Removes matrix interferences (salts, urea) which suppress
ionization.
LC-MS/MS: Uses Multiple Reaction Monitoring (MRM) for sensitivity.
Step-by-Step Methodology
Urine Sample
(1 mL)
Add Internal Standard
(XLR11-d5)
Enzymatic Hydrolysis
(β-glucuronidase, 60°C, 1h)
Solid Phase Extraction
(C18 Cartridge)
Evaporate & Reconstitute
(Mobile Phase)
LC-MS/MS Analysis